N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine

C16H17N5 — CID 114554308

IUPACN-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccccc2)nc(-c2ccnn2C)n1
InChIInChI=1S/C16H17N5/c1-3-17-15-11-13(12-7-5-4-6-8-12)19-16(20-15)14-9-10-18-21(14)2/h4-11H,3H2,1-2H3,(H,17,19,20)
InChIKeyMTIYOBJUEFLMNJ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.98
Rot. Bonds4

About N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine

N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine (PubChem CID 114554308) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine
PubChem CID114554308
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccccc2)nc(-c2ccnn2C)n1
InChIInChI=1S/C16H17N5/c1-3-17-15-11-13(12-7-5-4-6-8-12)19-16(20-15)14-9-10-18-21(14)2/h4-11H,3H2,1-2H3,(H,17,19,20)
InChIKeyMTIYOBJUEFLMNJ-UHFFFAOYSA-N
XLogP2.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(2-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 114554287
N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984866
4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
CID 55045579
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
N-ethyl-2-phenyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 115915110
2-(furan-2-yl)-6-phenyl-N-propylpyrimidin-4-amine
CID 63485214
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-phenylpyrimidin-4-amine
CID 107125311
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
N-ethyl-2-(3-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715906
6-cyclopropyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557347
N-ethyl-6-phenyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129120
6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557493

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine (CID 114554308) is N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine is CCNc1cc(-c2ccccc2)nc(-c2ccnn2C)n1.
What is the InChIKey of N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is MTIYOBJUEFLMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-3-17-15-11-13(12-7-5-4-6-8-12)19-16(20-15)14-9-10-18-21(14)2/h4-11H,3H2,1-2H3,(H,17,19,20).
What are the key properties of N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine?
N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 114554308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).